pentane;zirconium(2+);dichloride

C5H12Cl2Zr — CID 174388697

IUPACpentane;zirconium(2+);dichloride
SMILESCCCCC.[Cl-].[Cl-].[Zr+2]
InChIInChI=1S/C5H12.2ClH.Zr/c1-3-5-4-2;;;/h3-5H2,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyGIRYFKVBKJHSGX-UHFFFAOYSA-L
MW234.28 g/mol
LogP-3.80
Rot. Bonds2

About pentane;zirconium(2+);dichloride

pentane;zirconium(2+);dichloride (PubChem CID 174388697) has the molecular formula C5H12Cl2Zr and a molecular weight of 234.28 g/mol. Its IUPAC name is pentane;zirconium(2+);dichloride.

Molecular Properties

Compound Namepentane;zirconium(2+);dichloride
PubChem CID174388697
Molecular FormulaC5H12Cl2Zr
Molecular Weight234.28 g/mol
Exact Mass231.94
IUPAC Namepentane;zirconium(2+);dichloride
SMILESCCCCC.[Cl-].[Cl-].[Zr+2]
InChIInChI=1S/C5H12.2ClH.Zr/c1-3-5-4-2;;;/h3-5H2,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyGIRYFKVBKJHSGX-UHFFFAOYSA-L
XLogP-3.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 5-3.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of pentane;zirconium(2+);dichloride?
The IUPAC name of pentane;zirconium(2+);dichloride (CID 174388697) is pentane;zirconium(2+);dichloride.
What is the SMILES notation for pentane;zirconium(2+);dichloride?
The canonical SMILES for pentane;zirconium(2+);dichloride is CCCCC.[Cl-].[Cl-].[Zr+2].
What is the InChIKey of pentane;zirconium(2+);dichloride?
The InChIKey is GIRYFKVBKJHSGX-UHFFFAOYSA-L. The full InChI is InChI=1S/C5H12.2ClH.Zr/c1-3-5-4-2;;;/h3-5H2,1-2H3;2*1H;/q;;;+2/p-2.
What are the key properties of pentane;zirconium(2+);dichloride?
pentane;zirconium(2+);dichloride has a molecular weight of 234.28 g/mol, XLogP of -3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentane;zirconium(2+);dichloride is sourced from PubChem (CID 174388697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).